3-(4-chloro-2-nitrophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one

Formula:C20H12N3O4Cl Mutagenic:high Tumorigenic:none Reproductive Effective:none 3-(4-chloro-2-nitrophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one is a drug-like molecule.

MolName	3-(4-chloro-2-nitrophenyl)-2-[(E)-2-(furan-2-yl)ethenyl]quinazolin-4-one
MolecularFormula	C20H12N3O4Cl
Smiles	[O-][N+](c(cc(cc1)Cl)c1N(C(/C=C/c1ccco1)=Nc1c2cccc1)C2=O)=O
InChI	InChI=1S/C20H12ClN3O4/c21-13-7-9-17(18(12-13)24(26)27)23-19(10-8-14-4-3-11-28-14)22-16-6-2-1-5-15(16)20(23)25/h1-12H
InChIK	KZVSJPRYEIOXLL-UHFFFAOYSA-N
TotalMolweight	393.785
Molweight	393.785
MonoisotopicMass	393.051634
CLogP	3.1832
CLogS	-5.936
H Acceptors	7
TotalSurfaceArea	285.58
Relative PSA	0.25432
PolarSurfaceArea	91.63
Druglikeness	-3.1027
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.42857
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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